2,5-dimethyl-1-(oxan-4-yl)pyrrole-3-carboxylic acid

Systemtic Name: 2,5-dimethyl-1-(oxan-4-yl)pyrrole-3-carboxylic acid Openeye Name: 2,5-dimethyl-1-tetrahydropyran-4-yl-pyrrole-3-carboxylic acid CAS Name: 2,5-dimethyl-1-(4-oxanyl)-3-pyrrolecarboxylic acid IUPAC Name: 2,5-dimethyl-1-(oxan-4-yl)pyrrole-3-carboxylic acid Traditional Name: 2,5-dimethyl-1-tetrahydropyran-4-yl-pyrrole-3-carboxylic acid Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCOCC2)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2CCOCC2)C)C(=O)O

InChI

InChI=1S/C12H17NO3/c1-8-7-11(12(14)15)9(2)13(8)10-3-5-16-6-4-10/h7,10H,3-6H2,1-2H3,(H,14,15)